ChemSpider 2D Image | (1beta,11alpha,12alpha,15beta)-1,11,12,13,14,15,21-Heptahydroxy-11,20-epoxypicras-3-ene-2,16-dione | C20H26O11

(1β,11α,12α,15β)-1,11,12,13,14,15,21-Heptahydroxy-11,20-epoxypicras-3-ene-2,16-dione

  • Molecular FormulaC20H26O11
  • Average mass442.414 Da
  • Monoisotopic mass442.147522 Da
  • ChemSpider ID115011203

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β,11α,12α,15β)-1,11,12,13,14,15,21-Heptahydroxy-11,20-epoxypicras-3-en-2,16-dion [German] [ACD/IUPAC Name]
(1β,11α,12α,15β)-1,11,12,13,14,15,21-Heptahydroxy-11,20-epoxypicras-3-ene-2,16-dione [ACD/IUPAC Name]
(1β,11α,12α,15β)-1,11,12,13,14,15,21-Heptahydroxy-11,20-époxypicras-3-ène-2,16-dione [French] [ACD/IUPAC Name]
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,13,14,15,21-heptahydroxy-, (1β,11α,12α,15β)- [ACD/Index Name]
(1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,6,7,8,17-hexahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
138874-44-9 [RN]
Pasakbumin D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 259.3±26.4 °C
Index of Refraction: 1.719
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.30
Polar Surface Area: 194 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 109.1±5.0 dyne/cm
Molar Volume: 249.7±5.0 cm3

Click to predict properties on the Chemicalize site


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